Found 462 hits Enz. Inhib. hit(s) with Target = 'Lanosterol 14-alpha demethylase' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50161586
(4-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)Show SMILES Nc1ccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Apparent Ki for rat Lanosterol 14-alpha demethylase |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB
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Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50044425
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50044425
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1 | PDB
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Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50044425
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1 | PDB
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Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB
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Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB
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Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31653
(CHEMBL421109 | imidazole-dioxolane, 5)Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1 | PDB
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Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Apparent Ki for rat Lanosterol 14-alpha demethylase |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50213693
((3S,5S,8R,9S,10S,13R,14R,17R)-5,13-dimethyl-17-((R...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C |w:13.12| Show InChI InChI=1S/C30H52O3/c1-20(2)7-6-8-21(3)24-12-15-29(18-23-19-33-23)25-10-13-27(4)17-22(31)9-16-30(27,32)26(25)11-14-28(24,29)5/h20-26,31-32H,6-19H2,1-5H3/t21-,22+,23?,24-,25-,26+,27+,28-,29-,30+/m1/s1 | PDB
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Sinhgad College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of rat liver LDM |
Bioorg Med Chem 15: 4674-99 (2007)
Article DOI: 10.1016/j.bmc.2007.04.031
BindingDB Entry DOI: 10.7270/Q24J0FZ9 |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50011477
(ALBACONAZOLE | UR-9825)Show SMILES C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113016
BindingDB Entry DOI: 10.7270/Q28W3JD6 |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215880
(CHEMBL52311 | Ro-092364)Show SMILES CC1(C)CC[C@@H](COc2ccc(OC(F)(F)F)cc2)[C@H](Cn2cncn2)C1OCCO Show InChI InChI=1S/C21H28F3N3O4/c1-20(2)8-7-15(12-30-16-3-5-17(6-4-16)31-21(22,23)24)18(19(20)29-10-9-28)11-27-14-25-13-26-27/h3-6,13-15,18-19,28H,7-12H2,1-2H3/t15-,18-,19?/m0/s1 | PDB
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Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215878
(CHEMBL54768 | Ro-092056)Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)[C@H](OC)[C@H]2Cn2cncn2)cc1 Show InChI InChI=1S/C22H33N3O/c1-5-17-6-8-18(9-7-17)10-11-19-12-13-22(2,3)21(26-4)20(19)14-25-16-23-15-24-25/h6-9,15-16,19-21H,5,10-14H2,1-4H3/t19-,20+,21-/m1/s1 | PDB
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Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215878
(CHEMBL54768 | Ro-092056)Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)[C@H](OC)[C@H]2Cn2cncn2)cc1 Show InChI InChI=1S/C22H33N3O/c1-5-17-6-8-18(9-7-17)10-11-19-12-13-22(2,3)21(26-4)20(19)14-25-16-23-15-24-25/h6-9,15-16,19-21H,5,10-14H2,1-4H3/t19-,20+,21-/m1/s1 | PDB
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TBA
| Assay Description
In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005) |
Citation and Details
Article DOI: 10.1016/S0960-894X(01)80190-6
BindingDB Entry DOI: 10.7270/Q2RF5XRV |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50545214
(CHEMBL4633298)Show SMILES CCC(=O)CCCCCC(Oc1ccc2ccccc2c1)c1ncc(Cc2ccncc2)[nH]1 Show InChI InChI=1S/C28H31N3O2/c1-2-25(32)10-4-3-5-11-27(33-26-13-12-22-8-6-7-9-23(22)19-26)28-30-20-24(31-28)18-21-14-16-29-17-15-21/h6-9,12-17,19-20,27H,2-5,10-11,18H2,1H3,(H,30,31) | PDB
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IRBM Spa
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi CYP51 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127052
BindingDB Entry DOI: 10.7270/Q2C82DW5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50181473
(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)Show SMILES CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r| Show InChI InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1 | PDB
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Instituto Oswaldo Cruz
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growt... |
Eur J Med Chem 149: 257-268 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.020
BindingDB Entry DOI: 10.7270/Q25Q4ZQX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM31773
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50545214
(CHEMBL4633298)Show SMILES CCC(=O)CCCCCC(Oc1ccc2ccccc2c1)c1ncc(Cc2ccncc2)[nH]1 Show InChI InChI=1S/C28H31N3O2/c1-2-25(32)10-4-3-5-11-27(33-26-13-12-22-8-6-7-9-23(22)19-26)28-30-20-24(31-28)18-21-14-16-29-17-15-21/h6-9,12-17,19-20,27H,2-5,10-11,18H2,1H3,(H,30,31) | PDB
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IRBM Spa
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi CYP51 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127052
BindingDB Entry DOI: 10.7270/Q2C82DW5 |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50545214
(CHEMBL4633298)Show SMILES CCC(=O)CCCCCC(Oc1ccc2ccccc2c1)c1ncc(Cc2ccncc2)[nH]1 Show InChI InChI=1S/C28H31N3O2/c1-2-25(32)10-4-3-5-11-27(33-26-13-12-22-8-6-7-9-23(22)19-26)28-30-20-24(31-28)18-21-14-16-29-17-15-21/h6-9,12-17,19-20,27H,2-5,10-11,18H2,1H3,(H,30,31) | PDB
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IRBM Spa
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi CYP51 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127052
BindingDB Entry DOI: 10.7270/Q2C82DW5 |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50545219
(CHEMBL4646274)Show SMILES CCC(=O)CCCCCC(OCc1ccncc1)c1ncc(o1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H30N2O3/c1-2-25(31)10-4-3-5-11-26(32-20-21-14-16-29-17-15-21)28-30-19-27(33-28)24-13-12-22-8-6-7-9-23(22)18-24/h6-9,12-19,26H,2-5,10-11,20H2,1H3 | PDB
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IRBM Spa
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi CYP51 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127052
BindingDB Entry DOI: 10.7270/Q2C82DW5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215879
(CHEMBL415943 | Ro-092435)Show SMILES CO\N=C1/[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C Show InChI InChI=1S/C20H25F3N4O3/c1-19(2)9-8-14(17(18(19)26-28-3)10-27-13-24-12-25-27)11-29-15-4-6-16(7-5-15)30-20(21,22)23/h4-7,12-14,17H,8-11H2,1-3H3/b26-18+/t14-,17-/m0/s1 | PDB
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Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215883
(CHEMBL53214 | Ro-092182)Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)\C(=N\O)[C@H]2Cn2cncn2)cc1 Show InChI InChI=1S/C21H30N4O/c1-4-16-5-7-17(8-6-16)9-10-18-11-12-21(2,3)20(24-26)19(18)13-25-15-22-14-23-25/h5-8,14-15,18-19,26H,4,9-13H2,1-3H3/b24-20+/t18-,19+/m1/s1 | PDB
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Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50545216
(CHEMBL4638031)Show InChI InChI=1S/C21H19N3O/c1-15(25-14-16-8-10-22-11-9-16)21-23-13-20(24-21)19-7-6-17-4-2-3-5-18(17)12-19/h2-13,15H,14H2,1H3,(H,23,24) | PDB
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IRBM Spa
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi CYP51 |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127052
BindingDB Entry DOI: 10.7270/Q2C82DW5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50593137
(CHEMBL5187700)Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC(Cn1cncn1)C(=O)c1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00878
BindingDB Entry DOI: 10.7270/Q2NV9P7Z |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215876
(CHEMBL53213 | Ro-092173)Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)C(OCCO)[C@H]2Cn2cncn2)cc1 Show InChI InChI=1S/C23H35N3O2/c1-4-18-5-7-19(8-6-18)9-10-20-11-12-23(2,3)22(28-14-13-27)21(20)15-26-17-24-16-25-26/h5-8,16-17,20-22,27H,4,9-15H2,1-3H3/t20-,21+,22?/m1/s1 | PDB
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Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50011478
(ITRAZOLE)Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3 | PDB
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TBA
| Assay Description
In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005) |
Citation and Details
Article DOI: 10.1016/S0960-894X(01)80190-6
BindingDB Entry DOI: 10.7270/Q2RF5XRV |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50215882
(CHEMBL298394 | Ro-092183)Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)\C(=N\OC)[C@H]2Cn2cncn2)cc1 Show InChI InChI=1S/C22H32N4O/c1-5-17-6-8-18(9-7-17)10-11-19-12-13-22(2,3)21(25-27-4)20(19)14-26-16-23-15-24-26/h6-9,15-16,19-20H,5,10-14H2,1-4H3/b25-21+/t19-,20+/m1/s1 | PDB
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Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50469749
(CHEMBL349069 | Ro-092127)Show SMILES CCc1ccc(CC[C@@H]2CCC(C)(C)[C@H](OC)[C@H]2Cn2ccnc2)cc1 Show InChI InChI=1S/C23H34N2O/c1-5-18-6-8-19(9-7-18)10-11-20-12-13-23(2,3)22(26-4)21(20)16-25-15-14-24-17-25/h6-9,14-15,17,20-22H,5,10-13,16H2,1-4H3/t20-,21+,22-/m1/s1 | PDB
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TBA
| Assay Description
In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005) |
Citation and Details
Article DOI: 10.1016/S0960-894X(01)80190-6
BindingDB Entry DOI: 10.7270/Q2RF5XRV |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628731
(US20230339890, Compound 27)Show SMILES CC1(CN(C[C@@H](O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628733
(US20230339890, Compound 77)Show SMILES O[C@H](CN(C1CCC1)C(=O)Cc1ccc(C#N)c(Cl)c1)c1cccnc1 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628735
(US20230339890, Compound 125)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(cn1)C(F)(F)F | PDB
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| |
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More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM50458303
(CHEMBL4208391)Show SMILES C[C@@H]1S[C@@H](c2c(C)n[nH]c2NC1=O)c1ccc(OCc2ccccc2Cl)cc1 |r| Show InChI InChI=1S/C21H20ClN3O2S/c1-12-18-19(28-13(2)21(26)23-20(18)25-24-12)14-7-9-16(10-8-14)27-11-15-5-3-4-6-17(15)22/h3-10,13,19H,11H2,1-2H3,(H2,23,24,25,26)/t13-,19+/m0/s1 | PDB
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Instituto Oswaldo Cruz
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growt... |
Eur J Med Chem 149: 257-268 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.020
BindingDB Entry DOI: 10.7270/Q25Q4ZQX |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628823
(Preparation of 2-(3-Chloro-4-Methyl-Phenyl)-N-[(2S...)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C)c(Cl)c1 | PDB
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TBA
| |
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628820
(US20230339890, Compound 90 | US20230339890, Compou...)Show SMILES CC(C)c1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628830
(US20230339890, Compound 139)Show SMILES CC(C)(C)OC(=O)NCCCCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1 | PDB
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TBA
| |
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628831
(Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethy...)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628762
(US20230339890, Compound 129 | US20230339890, Compo...)Show SMILES CCCN(CC(O)c1cnccn1)C(=O)C1Cc2cc(Cl)c(Cl)cc2C1 | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628834
(US20230339890, Compound 67)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc2cc(Cl)sc2c1 | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628820
(US20230339890, Compound 90 | US20230339890, Compou...)Show SMILES CC(C)c1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628837
(US20230339890, Compound 140)Show SMILES CC(C)(C)OC(=O)NCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628838
(US20230339890, Compound 18)Show SMILES CC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1 | PDB
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628843
(US20230339890, Compound 141)Show SMILES CC(C)(C)OC(=O)NCCCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628766
(US20230339890, Compound 32 | US20230339890, Compou...)Show SMILES CCCN(CC(O)c1cccnn1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628849
(US20230339890, Compound 142)Show SMILES CC(C)(C)OC(=O)NCCCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C#N)c(Cl)c1 | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628851
(Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethy...)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cn1 | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628852
(US20230339890, Compound 70)Show SMILES CCC(=O)N(C[C@@H](O)c1cccnc1)C1CCc2cc(Cl)c(Cl)cc2C1 | PDB
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628854
(US20230339890, Compound 119)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C#N)c(F)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628855
(US20230339890, Compound 143)Show SMILES CC(C)(C)OC(=O)NCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(nc1)C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM628856
(Preparation of 2-[3-Chloro-4-(Trifluoromethoxy)Phe...)Show SMILES CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)c(Cl)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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